4-chloro-6,7-dimethylquinazoline

• ChemBase ID: 248139
• Molecular Formular: C10H9ClN2
• Molecular Mass: 192.64486
• Monoisotopic Mass: 192.04542598
• SMILES: c12cc(c(cc1ncnc2Cl)C)C
• Canonical SMILES: Cc1cc2c(cc1C)ncnc2Cl
• InChI: InChI=1S/C10H9ClN2/c1-6-3-8-9(4-7(6)2)12-5-13-10(8)11/h3-5H,1-2H3
• InChIKey: WIKQNBCDJYNKED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6,7-dimethylquinazoline
• IUPAC Traditional name: 4-chloro-6,7-dimethylquinazoline
• Synonyms: 4-chloro-6,7-dimethylquinazoline

Database IDs

• MDL Number: MFCD18258906
• PubChem SID: 164304049
• PubChem CID: 18932894

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.276083
• LogD (pH = 7.4): 3.2761266
• Log P: 3.276127
• Molar Refractivity: 54.749 cm^3
• Polarizability: 21.519161 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.771

Product Information

• Purity: 95%